Cas no 1315361-99-9 (2-(4-Bromophenyl)-6-chloro-4-Pyrimidinecarboxylic acid)
1315361-99-9 structure
Product Name:2-(4-Bromophenyl)-6-chloro-4-Pyrimidinecarboxylic acid
CAS No:1315361-99-9
MF:C11H6BrClN2O2
MW:313.534540653229
CID:2128970
Update Time:2023-08-03
2-(4-Bromophenyl)-6-chloro-4-Pyrimidinecarboxylic acid Chemical and Physical Properties
Names and Identifiers
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- 2-(4-bromophenyl)-6-chloro-4-Pyrimidinecarboxylic acid
- 2-(4-Bromophenyl)-6-chloro-4-Pyrimidinecarboxylic acid
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- Inchi： 1S/C11H6BrClN2O2/c12-7-3-1-6(2-4-7)10-14-8(11(16)17)5-9(13)15-10/h1-5H,(H,16,17)
- InChI Key： LZXFWXOFFCDBBQ-UHFFFAOYSA-N
- SMILES： BrC1C=CC(=CC=1)C1N=C(C=C(C(=O)O)N=1)Cl
Computed Properties
- Exact Mass: 311.93
- Monoisotopic Mass: 311.93
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 285
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 63.1
2-(4-Bromophenyl)-6-chloro-4-Pyrimidinecarboxylic acid Related Literature
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
1315361-99-9 (2-(4-Bromophenyl)-6-chloro-4-Pyrimidinecarboxylic acid) Related Products
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